(3S)-1-[2-[(3,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate

Systemtic Name: (3S)-1-[2-[(3,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate Openeye Name: (3S)-1-[2-(3,4-dimethylanilino)-2-oxo-ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[2-(3,4-dimethylanilino)-2-oxoethyl]-3-piperidin-1-iumcarboxylate IUPAC Name: (3S)-1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[2-(3,4-dimethylanilino)-2-keto-ethyl]piperidin-1-ium-3-carboxylate Formula: C16H22N2O3 MolecularWeight: 290.35748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C[NH+]2CCCC(C2)C(=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C[NH+]2CCC[C@@H](C2)C(=O)[O-])C

InChI

InChI=1S/C16H22N2O3/c1-11-5-6-14(8-12(11)2)17-15(19)10-18-7-3-4-13(9-18)16(20)21/h5-6,8,13H,3-4,7,9-10H2,1-2H3,(H,17,19)(H,20,21)/t13-/m0/s1